CID 3021438

89451-29-6

Structural Information

Molecular Formula
C18H14N2S
SMILES
C1=CC=C(C=C1)C2C=C(NC(=S)C2C#N)C3=CC=CC=C3
InChI
InChI=1S/C18H14N2S/c19-12-16-15(13-7-3-1-4-8-13)11-17(20-18(16)21)14-9-5-2-6-10-14/h1-11,15-16H,(H,20,21)
InChIKey
PFTGVVPSSNIBAX-UHFFFAOYSA-N
Compound name
4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08777 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09505 174.1
[M+Na]+ 313.07699 184.4
[M-H]- 289.08049 179.6
[M+NH4]+ 308.12159 186.5
[M+K]+ 329.05093 174.8
[M+H-H2O]+ 273.08503 159.5
[M+HCOO]- 335.08597 185.0
[M+CH3COO]- 349.10162 182.8
[M+Na-2H]- 311.06244 174.5
[M]+ 290.08722 165.6
[M]- 290.08832 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.